1FC6

PHOTOSYSTEM II D1 C-TERMINAL PROCESSING PROTEASE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	102
Detector technology	CCD
Collection date	1998-11-20
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	111.300, 64.450, 63.730
Unit cell angles	90.00, 122.11, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.168 *
Rwork	0.168
R-free	0.23700
Structure solution method	MAD, treating MAD data as a special case of MIR
RMSD bond length	0.018
RMSD bond angle	2.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.056	0.394
Total number of observations	258532 *
Number of reflections	35489
<I/σ(I)>	18
Completeness [%]	99.8	99
Redundancy	7.28	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	PEG 4000, isopropanol, HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	drop	phenylboronic acid	1 (mM)
4	1	reservoir	PEG4000	17-18 (%(w/v))
5	1	reservoir	isopropanol	10 (%(v/v))
6	1	reservoir	HEPES	0.1 (M)