1ESU

S235A MUTANT OF TEM1 BETA-LACTAMASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1993-10-26
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 21 21 21
Unit cell lengths	41.931, 63.245, 88.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.162
Rwork	0.162
RMSD bond length	0.015
RMSD bond angle	3.000
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.912	1.869
High resolution limit [Å]	1.767	1.767
Rmerge	0.035
Total number of observations	48113 *
Number of reflections	16584
<I/σ(I)>	35.6
Completeness [%]	72.4	29.6
Redundancy	2.7	1.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	imidazole	0.1 (M)
3	1	reservoir		10 (mM)
4	1	reservoir	ammonium sulfate	43-48 (%sat)