1QQW

CRYSTAL STRUCTURE OF HUMAN ERYTHROCYTE CATALASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-01-14
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	84.904, 141.674, 232.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.750
R-factor	0.206 *
Rwork	0.206
R-free	0.27200
RMSD bond length	0.005
RMSD bond angle	0.897
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	240.000	2.820
High resolution limit [Å]	2.730	2.730
Rmerge	0.109 *	0.354
Total number of observations	131236 *
Number of reflections	64674	4606 *
<I/σ(I)>	2.9
Completeness [%]	86.0	67
Redundancy	2	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	298	PROTEIN SOLUTION: 8MG/ML PROTEIN, 50MM KCL, 1MM 2-MERCAPTOETHANOL, 0.2MM EDTA, 20MM NAOAC PH 5.2; RESERVOIR: 6-7% PEG-20000, 0.1 M MES PH 6.7; DROPS WERE SET UP BY MIXING EQUAL VOLUMES OF PROTEIN SOLUTION AND RESERVOIR., VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	PEG20000	6-7 (%)
3	1	reservoir	MES	0.1 (M)