2XTU

Structure of E.coli rhomboid protease GlpG active site mutant, S201T in trigonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-20
Detector	ADSC CCD
Spacegroup name	H 3 2
Unit cell lengths	110.250, 110.250, 127.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.223 - 1.850
R-factor	0.1773
Rwork	0.176
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b45
RMSD bond length	0.006
RMSD bond angle	0.982
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.530	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.090	0.570
Number of reflections	25582
<I/σ(I)>	12.2	2.8
Completeness [%]	99.9	99.9
Redundancy	5.3	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	2.5M AMMONIUM CHLORIDE, 0.1M BIS-TRIS PH7.0, 298K