6QPR

Rhizomucor miehei lipase propeptide complex, Ser95/Ile96 deletion mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	98.696, 61.374, 62.814
Unit cell angles	90.00, 111.85, 90.00

Refinement procedure

Resolution	30.870 - 1.450
R-factor	0.1282
Rwork	0.126
R-free	0.16484
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qpp
RMSD bond length	0.017
RMSD bond angle	1.985
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.870	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.051	0.410
Rmeas	0.068
Number of reflections	55606
<I/σ(I)>	13.8
Completeness [%]	95.0	67.2
Redundancy	3.5	2.7
CC(1/2)	0.998	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	4M Na formate