6ANP

CAT192 Fab Insertion Mutant H5/L0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5419
Spacegroup name	P 1 21 1
Unit cell lengths	54.440, 83.890, 112.250
Unit cell angles	90.00, 97.49, 90.00

Refinement procedure

Resolution	33.928 - 2.450
R-factor	0.1857
Rwork	0.183
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6amj
RMSD bond length	0.002
RMSD bond angle	0.564
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.928	2.580
High resolution limit [Å]	2.450	2.450
Rmerge		0.443
Number of reflections	36532	5019
<I/σ(I)>		2.2
Completeness [%]		93.7
Redundancy		3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	10.3% PEG 20K, 0.0938M MES pH 6.0, 2.5% DMSO